5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one

C17H16N2O — CID 11832285

IUPAC5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one
SMILESCC1CN2C(=O)c3ccccc3NC2c2ccccc21
InChIInChI=1S/C17H16N2O/c1-11-10-19-16(13-7-3-2-6-12(11)13)18-15-9-5-4-8-14(15)17(19)20/h2-9,11,16,18H,10H2,1H3
InChIKeyAGOVWIDJBLTWBN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.37
Rot. Bonds

About 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one

5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one (PubChem CID 11832285) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one.

Molecular Properties

Compound Name5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one
PubChem CID11832285
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one
SMILESCC1CN2C(=O)c3ccccc3NC2c2ccccc21
InChIInChI=1S/C17H16N2O/c1-11-10-19-16(13-7-3-2-6-12(11)13)18-15-9-5-4-8-14(15)17(19)20/h2-9,11,16,18H,10H2,1H3
InChIKeyAGOVWIDJBLTWBN-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one?
The IUPAC name of 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one (CID 11832285) is 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one.
What is the SMILES notation for 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one?
The canonical SMILES for 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one is CC1CN2C(=O)c3ccccc3NC2c2ccccc21.
What is the InChIKey of 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one?
The InChIKey is AGOVWIDJBLTWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-10-19-16(13-7-3-2-6-12(11)13)18-15-9-5-4-8-14(15)17(19)20/h2-9,11,16,18H,10H2,1H3.
What are the key properties of 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one?
5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one has a molecular weight of 264.33 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6,13,13a-tetrahydroisoquinolino[1,2-b]quinazolin-8-one is sourced from PubChem (CID 11832285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).